Difference between revisions of "CPD-12902"

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(Created page with "Category:metabolite == Metabolite CPD1F-128 == * common-name: ** ent-kaurene * smiles: ** c=c1(c4(cc3(c1)(cc[ch]2(c(c)(c)cccc(c)2[ch]3cc4)))) * inchi-key: ** onvabdhfqkwos...")
(Created page with "Category:metabolite == Metabolite CPD-12902 == * common-name: ** 5-methylhex-4-enoyl-coa * smiles: ** cc(c)=cccc(=o)sccnc(=o)ccnc(=o)c(o)c(c)(c)cop(=o)(op(=o)(occ1(c(op([o...")
 
(2 intermediate revisions by 2 users not shown)
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[[Category:metabolite]]
 
[[Category:metabolite]]
== Metabolite CPD1F-128 ==
+
== Metabolite CPD-12902 ==
 
* common-name:
 
* common-name:
** ent-kaurene
+
** 5-methylhex-4-enoyl-coa
 
* smiles:
 
* smiles:
** c=c1(c4(cc3(c1)(cc[ch]2(c(c)(c)cccc(c)2[ch]3cc4))))
+
** cc(c)=cccc(=o)sccnc(=o)ccnc(=o)c(o)c(c)(c)cop(=o)(op(=o)(occ1(c(op([o-])(=o)[o-])c(o)c(o1)n3(c2(=c(c(n)=nc=n2)n=c3))))[o-])[o-]
 
* inchi-key:
 
* inchi-key:
** onvabdhfqkwosv-hpusydddsa-n
+
** beyylhumfmwplh-svhodsnwsa-j
 
* molecular-weight:
 
* molecular-weight:
** 272.473
+
** 873.658
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
* [[1.14.13.78-RXN]]
 
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
 +
* [[RXN-11917]]
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
{{#set: common-name=ent-kaurene}}
+
{{#set: common-name=5-methylhex-4-enoyl-coa}}
{{#set: inchi-key=inchikey=onvabdhfqkwosv-hpusydddsa-n}}
+
{{#set: inchi-key=inchikey=beyylhumfmwplh-svhodsnwsa-j}}
{{#set: molecular-weight=272.473}}
+
{{#set: molecular-weight=873.658}}

Latest revision as of 11:17, 18 March 2021

Metabolite CPD-12902

  • common-name:
    • 5-methylhex-4-enoyl-coa
  • smiles:
    • cc(c)=cccc(=o)sccnc(=o)ccnc(=o)c(o)c(c)(c)cop(=o)(op(=o)(occ1(c(op([o-])(=o)[o-])c(o)c(o1)n3(c2(=c(c(n)=nc=n2)n=c3))))[o-])[o-]
  • inchi-key:
    • beyylhumfmwplh-svhodsnwsa-j
  • molecular-weight:
    • 873.658

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality